Geometry & MOs

Info

ID:	26849
PubChem CID:	799914
Reduced:	SO3N4C10H10 (1)
Stoich.:	AB3C4D10E10 (1)
Weight, g/mol:	322.027535
ΔH_f, kcal/mol:	-51.21
Dipole, Da:	9.18
IP(EA), eV:	-9.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15R)-15-(trifluoromethyl)-11-oxa-14-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,13(17)-hexaen-12-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=NC=N2

DOS

IR

Vibrations